Vitas-M small molecule compound
ethyl 4-cyano-5-({[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetyl}amino)-3-methylthiophene-2-carboxylate
Catalog ID
STK546590
SMILES CCOC(=O)c1sc(c(c1C)C#N)NC(=O)CSc1nc2CCCCCc2cc1C#N
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H22N4O3S2 MW 454.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S2/c1-3-29-22(28)19-13(2)16(11-24)21(31-19)26-18(27)12-30-20-15(10-23)9-14-7-5-4-6-8-17(14)25-20/h9H,3-8,12H2,1-2H3,(H,26,27)InChIKey
RSKJKNLLFZOYKR-UHFFFAOYSA-NSynonyms
445383-13-1445383131
CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC3=C(CCCCC3)C=C2C#N)C#N)C
ethyl4cyano5((((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)sulfanyl)acetyl)amino)3methylthiophene2carboxylate
ethyl4cyano5((2((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)sulfanyl)acetyl)amino)3methylthiophene2carboxylate
ethyl4cyano5(2((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)thio)acetamido)3methylthiophene2carboxylate
InChI=1SC22H22N4O3S2c132922(28)1913(2)16(1124)21(3119)2618(27)12302015(1023)9147546817(14)2520h9H3812H212H3(H2627)
MFCD03075969
ZINC000008451099
ZINC08451099
ZINC8451099
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